4-methylbenzenesulfonic acid; (phenylmethyl) (2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) (2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: benzyl (2S)-2-amino-3-(4-benzyloxyphenyl)propanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-3-(4-benzoxyphenyl)propionic acid benzyl ester; tosylic acid Formula: C30H31NO6S MolecularWeight: 533.63524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C23H23NO3.C7H8O3S/c24-22(23(25)27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,22H,15-17,24H2;2-5H,1H3,(H,8,9,10)/t22-;/m0./s1